#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmj s SER 2 N 0.00 4.85 0.40 1.62 0.15 -1.26 -5.11 113.70 114.36 1pmj s SER 2 Ca 0.00 -1.73 0.07 0.00 0.70 0.00 0.00 55.95 54.99 1pmj s SER 2 Cb 0.00 -1.68 -0.08 0.00 -1.71 0.00 0.00 66.02 62.55 1pmj s SER 2 CO 0.00 -0.35 0.02 -0.44 1.20 0.00 0.00 173.24 173.67 1pmj s SER 3 N 1.26 3.66 -0.41 5.45 0.01 -1.26 -5.03 113.70 117.38 1pmj s SER 3 Ca 0.02 -1.37 0.05 0.00 1.31 0.00 0.00 55.95 55.96 1pmj s SER 3 Cb -0.20 -0.35 0.44 0.00 0.21 0.00 0.00 66.02 66.11 1pmj s SER 3 CO -0.05 -0.47 1.30 1.33 0.41 0.00 0.00 173.24 175.77 1pmj n VAL 4 N -0.93 2.66 -2.12 3.43 0.24 -1.26 -5.06 118.33 115.28 1pmj n VAL 4 Ca -0.05 -4.31 -0.39 0.00 -2.04 0.00 0.00 64.34 57.55 1pmj n VAL 4 Cb 0.67 -1.19 -0.01 0.00 -1.47 0.00 0.00 33.84 31.84 1pmj n VAL 4 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1pmj s ASN 5 N -3.26 6.40 0.25 -1.34 0.01 -1.26 -4.64 114.94 111.10 1pmj s ASN 5 Ca 0.52 2.57 -0.30 0.00 -0.71 0.00 0.00 52.86 54.93 1pmj s ASN 5 Cb 0.42 -2.63 -0.14 0.00 0.41 0.00 0.00 41.25 39.30 1pmj s ASN 5 CO -0.06 -0.78 1.17 -2.65 -1.51 0.00 0.00 177.10 173.27 1pmj n PRO 6 N 0.17 1.50 -3.63 -0.60 -0.02 -1.26 -4.92 135.00 126.25 1pmj n PRO 6 Ca 0.04 0.53 -0.40 0.00 -2.02 0.00 0.00 63.50 61.65 1pmj n PRO 6 Cb 0.44 -2.02 -0.11 0.00 -0.02 0.00 0.00 33.50 31.79 1pmj n PRO 6 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pmj s VAL 7 N -0.57 4.45 -0.34 -1.45 1.01 -0.52 -4.99 120.40 118.01 1pmj s VAL 7 Ca 0.65 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1pmj s VAL 7 Cb -0.73 -3.47 0.08 0.00 0.00 0.00 0.00 36.38 32.26 1pmj s VAL 7 CO 0.55 -0.19 0.06 -0.69 0.00 0.00 0.00 175.10 174.83 1pmj s VAL 8 N 1.54 2.95 -0.99 2.92 1.01 -1.26 -0.74 120.40 125.82 1pmj s VAL 8 Ca 0.02 -1.73 -0.13 0.00 0.00 0.00 0.00 61.98 60.14 1pmj s VAL 8 Cb -0.19 -2.86 0.22 0.00 0.00 0.00 0.00 36.38 33.55 1pmj s VAL 8 CO 0.06 -0.35 1.03 -0.76 0.00 0.00 0.00 175.10 175.08 1pmj s LEU 9 N 1.17 6.17 0.00 3.92 1.43 0.12 -4.78 118.68 126.71 1pmj s LEU 9 Ca 0.01 -2.97 0.13 0.00 -1.03 0.00 0.00 54.13 50.27 1pmj s LEU 9 Cb -0.21 -2.26 0.11 0.00 0.03 0.00 0.00 46.19 43.87 1pmj s LEU 9 CO -0.03 -0.56 0.93 -0.90 0.23 0.00 0.00 176.35 176.03 1pmj n ASP 10 N 4.07 2.14 -0.33 2.29 5.68 -1.26 -1.50 116.55 127.65 1pmj n ASP 10 Ca 0.22 -1.57 -0.04 0.00 -0.50 0.00 0.00 54.79 52.90 1pmj n ASP 10 Cb 0.44 -0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 40.39 1pmj n ASP 10 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1pmj n PHE 11 N 0.75 0.00 0.94 2.11 3.72 -1.26 -4.65 117.46 119.06 1pmj n PHE 11 Ca 0.08 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.60 1pmj n PHE 11 Cb 0.34 -1.83 0.55 0.00 -0.94 0.00 0.00 39.48 37.60 1pmj n PHE 11 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1pmj n GLU 12 N -0.72 0.10 -0.01 -1.08 -0.58 -1.26 -1.34 120.64 115.75 1pmj n GLU 12 Ca -0.04 0.07 0.12 0.00 -0.42 0.00 0.00 57.16 56.89 1pmj n GLU 12 Cb 0.41 -1.50 0.68 0.00 -0.57 0.00 0.00 31.44 30.47 1pmj n GLU 12 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1pmj n ASP 13 N -1.44 0.21 -0.74 1.62 5.75 -1.26 -4.92 116.55 115.77 1pmj n ASP 13 Ca 0.08 -1.29 -0.09 0.00 -0.01 0.00 0.00 54.79 53.48 1pmj n ASP 13 Cb 0.26 -0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.32 1pmj n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pmj n GLY 14 N 0.91 0.81 3.69 6.12 0.00 -0.45 -5.04 105.19 111.25 1pmj n GLY 14 Ca 0.18 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 1pmj n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pmj s THR 15 N -2.35 2.23 -2.00 2.61 -4.23 -1.26 -4.96 115.64 105.69 1pmj s THR 15 Ca 0.00 -1.81 0.28 0.00 -1.18 0.00 0.00 61.69 58.98 1pmj s THR 15 Cb 0.00 -2.99 0.79 0.00 1.34 0.00 0.00 72.50 71.64 1pmj s THR 15 CO 0.00 -0.01 2.00 1.33 -0.54 0.00 0.00 174.62 177.40 1pmj n VAL 16 N -1.13 0.00 -3.99 2.29 0.24 -1.26 -4.66 118.33 109.81 1pmj n VAL 16 Ca -0.03 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.00 1pmj n VAL 16 Cb 0.65 -0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 32.44 1pmj n VAL 16 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1pmj n MET 17 N -1.00 -3.43 -1.10 7.34 2.81 -1.26 -1.61 117.12 118.87 1pmj n MET 17 Ca 0.21 0.41 -0.03 0.00 -1.81 0.00 0.00 57.70 56.48 1pmj n MET 17 Cb 0.10 -4.69 -0.01 0.00 -0.71 0.00 0.00 33.22 27.90 1pmj n MET 17 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1pmj n SER 18 N -2.93 -4.46 -4.73 7.83 7.64 -1.26 -4.70 113.62 111.01 1pmj n SER 18 Ca -0.23 0.08 -0.41 0.00 1.01 0.00 0.00 58.87 59.33 1pmj n SER 18 Cb 0.65 -2.26 -0.04 0.00 -1.01 0.00 0.00 64.21 61.54 1pmj n SER 18 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1pmj s PHE 19 N -1.77 3.77 0.00 1.43 0.40 -0.64 -4.08 117.98 117.09 1pmj s PHE 19 Ca 0.00 1.76 0.00 0.00 -0.60 0.00 0.00 56.93 58.09 1pmj s PHE 19 Cb 0.00 -3.10 0.00 0.00 0.51 0.00 0.00 43.02 40.43 1pmj s PHE 19 CO 0.00 0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.36 1pmj n GLY 20 N 2.17 1.05 3.78 4.36 0.00 -0.39 -4.96 105.19 111.20 1pmj n GLY 20 Ca 0.02 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 1pmj n GLY 20 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pmj s GLU 21 N 1.31 3.99 0.28 1.61 -1.05 -1.26 -0.66 118.70 122.93 1pmj s GLU 21 Ca 0.00 2.52 0.10 0.00 -0.15 0.00 0.00 54.97 57.44 1pmj s GLU 21 Cb 0.00 -2.88 0.37 0.00 -0.44 0.00 0.00 34.13 31.18 1pmj s GLU 21 CO 0.00 -0.61 1.62 0.00 0.95 0.00 0.00 175.26 177.23 1pmj h ALA 22 N 2.81 1.00 -2.97 -0.84 0.00 -1.76 -3.38 119.26 114.13 1pmj h ALA 22 Ca -0.51 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 53.87 1pmj h ALA 22 Cb 1.25 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1pmj h ALA 22 CO 0.63 0.75 0.16 1.67 0.00 0.00 0.00 179.25 182.46 1pmj s TRP 23 N -3.66 0.02 -0.03 0.00 -2.14 -1.26 -4.89 118.94 106.97 1pmj s TRP 23 Ca -0.02 -0.49 -0.36 0.00 2.66 0.00 0.00 56.10 57.90 1pmj s TRP 23 Cb 0.13 0.60 -0.14 0.00 -3.10 0.00 0.00 33.47 30.96 1pmj s TRP 23 CO 0.76 -1.25 1.64 0.41 -2.66 0.00 0.00 176.95 175.86 1pmj n GLY 24 N -0.46 1.00 2.49 3.67 0.00 -1.26 -1.42 105.19 109.21 1pmj n GLY 24 Ca -0.04 0.79 -0.16 0.00 0.00 0.00 0.00 46.02 46.60 1pmj n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pmj n ASP 25 N 4.55 -5.03 0.20 1.61 2.03 -1.26 -4.91 116.55 113.74 1pmj n ASP 25 Ca 0.21 0.40 0.13 0.00 0.52 0.00 0.00 54.79 56.06 1pmj n ASP 25 Cb 0.23 -3.96 0.37 0.00 -0.72 0.00 0.00 41.12 37.04 1pmj n ASP 25 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1pmj h SER 26 N 0.00 0.00 -0.42 1.67 4.64 -1.55 -3.36 113.55 114.53 1pmj h SER 26 Ca -0.33 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.93 1pmj h SER 26 Cb 1.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1pmj h SER 26 CO 0.49 0.00 0.03 -0.07 -0.87 0.00 0.00 176.83 176.41 1pmj h LEU 27 N 0.00 0.71 0.00 5.97 3.38 -1.82 -1.19 115.31 122.36 1pmj h LEU 27 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1pmj h LEU 27 Cb 0.76 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1pmj h LEU 27 CO 0.00 0.82 0.00 0.29 0.09 0.00 0.00 178.44 179.64 1pmj n LYS 28 N -4.45 0.00 0.29 1.13 5.02 -1.26 -0.84 118.16 118.04 1pmj n LYS 28 Ca -0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.42 1pmj n LYS 28 Cb 0.27 0.00 0.85 0.00 -0.02 0.00 0.00 35.03 36.13 1pmj n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pmj s ILE 30 N -4.57 4.28 -0.47 0.00 1.01 -0.02 -1.51 121.20 119.92 1pmj s ILE 30 Ca -0.05 1.03 0.23 0.00 0.00 0.00 0.00 60.65 61.87 1pmj s ILE 30 Cb 0.15 -4.56 0.01 0.00 0.01 0.00 0.00 42.46 38.07 1pmj s ILE 30 CO 0.57 -0.98 1.18 0.11 0.00 0.00 0.00 174.94 175.82 1pmj h LYS 31 N 9.20 0.00 -1.84 2.79 1.79 -0.48 -3.44 116.57 124.60 1pmj h LYS 31 Ca -0.23 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1pmj h LYS 31 Cb 1.07 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.49 1pmj h LYS 31 CO 1.10 0.00 0.27 0.21 -1.08 0.00 0.00 179.45 179.95 1pmj s LYS 32 N -3.25 0.73 -0.14 3.15 2.20 -1.20 -4.98 119.74 116.24 1pmj s LYS 32 Ca 0.03 0.74 0.01 0.00 -0.36 0.00 0.00 55.97 56.40 1pmj s LYS 32 Cb 0.12 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.79 1pmj s LYS 32 CO 0.76 -0.11 -0.18 0.08 -0.36 0.00 0.00 175.35 175.54 1pmj s VAL 33 N 0.10 2.47 0.08 4.02 1.01 -1.26 -1.28 120.40 125.53 1pmj s VAL 33 Ca -0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1pmj s VAL 33 Cb -0.04 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.33 1pmj s VAL 33 CO -0.01 0.53 0.26 -0.94 0.00 0.00 0.00 175.10 174.94 1pmj s SER 34 N 0.72 -0.01 -0.05 3.32 1.04 -0.62 -5.01 113.70 113.09 1pmj s SER 34 Ca -0.08 -0.45 -0.19 0.00 0.48 0.00 0.00 55.95 55.71 1pmj s SER 34 Cb -0.16 0.36 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 1pmj s SER 34 CO 0.01 -0.71 0.53 0.54 0.98 0.00 0.00 173.24 174.59 1pmj s VAL 35 N -3.41 5.05 0.01 5.02 0.11 -1.26 -0.31 120.40 125.60 1pmj s VAL 35 Ca 0.01 1.09 0.02 0.00 -2.93 0.00 0.00 61.98 60.17 1pmj s VAL 35 Cb 0.02 -3.86 -0.01 0.00 -1.53 0.00 0.00 36.38 31.00 1pmj s VAL 35 CO -0.09 0.39 -0.07 -0.55 -3.33 0.00 0.00 175.10 171.45 1pmj s SER 36 N 0.08 0.84 -0.10 3.54 0.15 0.07 -4.91 113.70 113.38 1pmj s SER 36 Ca 0.28 -0.25 0.19 0.00 0.70 0.00 0.00 55.95 56.87 1pmj s SER 36 Cb -0.17 -0.05 0.72 0.00 -1.71 0.00 0.00 66.02 64.81 1pmj s SER 36 CO 0.14 -0.00 1.63 0.00 1.20 0.00 0.00 173.24 176.21 1pmj n GLN 37 N 2.46 3.61 0.01 5.44 6.02 -1.26 -1.14 117.38 132.53 1pmj n GLN 37 Ca -0.16 -2.88 0.13 0.00 -0.01 0.00 0.00 57.00 54.08 1pmj n GLN 37 Cb 0.57 -1.86 0.57 0.00 1.02 0.00 0.00 30.24 30.54 1pmj n GLN 37 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1pmj h ASP 38 N 4.18 0.21 -0.55 1.08 3.32 -1.94 -1.12 116.42 121.61 1pmj h ASP 38 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pmj h ASP 38 Cb 1.40 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1pmj h ASP 38 CO 0.20 0.13 0.00 0.18 -1.72 0.00 0.00 179.24 178.03 1pmj n LEU 39 N -4.46 4.15 -4.66 1.55 4.77 -1.26 -4.90 117.00 112.19 1pmj n LEU 39 Ca 0.07 -2.36 -0.50 0.00 -0.03 0.00 0.00 56.01 53.18 1pmj n LEU 39 Cb 0.35 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1pmj n LEU 39 CO 0.35 0.80 1.19 1.67 -1.33 0.00 0.00 177.39 180.08 1pmj n GLN 40 N 0.85 1.69 -3.73 3.23 7.27 -0.43 -4.84 117.38 121.43 1pmj n GLN 40 Ca 0.22 0.62 -0.09 0.00 0.07 0.00 0.00 57.00 57.82 1pmj n GLN 40 Cb 0.75 -2.35 -0.02 0.00 2.41 0.00 0.00 30.24 31.04 1pmj n GLN 40 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 1pmj s ARG 41 N 1.91 1.63 0.12 3.69 1.70 -0.53 -4.87 118.95 122.60 1pmj s ARG 41 Ca 0.87 -0.84 -0.36 0.00 -0.47 0.00 0.00 55.73 54.93 1pmj s ARG 41 Cb -0.83 0.60 -0.16 0.00 -0.57 0.00 0.00 34.95 34.00 1pmj s ARG 41 CO 0.48 -0.74 1.42 -2.30 -1.08 0.00 0.00 175.30 173.08 1pmj n PRO 42 N -0.43 1.51 -0.86 3.89 -0.02 -1.26 -1.22 135.00 136.60 1pmj n PRO 42 Ca -0.08 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1pmj n PRO 42 Cb 0.61 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1pmj n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pmj n GLY 43 N 2.82 1.27 3.18 -1.23 0.00 -1.26 -4.94 105.19 105.05 1pmj n GLY 43 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 1pmj n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pmj s ASN 44 N -3.14 -1.48 -0.03 1.61 3.84 -0.36 -5.04 114.94 110.34 1pmj s ASN 44 Ca 0.00 -0.59 -0.02 0.00 0.21 0.00 0.00 52.86 52.46 1pmj s ASN 44 Cb 0.00 1.95 -0.27 0.00 -0.55 0.00 0.00 41.25 42.38 1pmj s ASN 44 CO 0.00 -0.20 0.73 0.50 -2.79 0.00 0.00 177.10 175.34 1pmj h LYS 45 N 7.23 0.23 -5.75 0.43 3.64 -1.89 -1.42 116.57 119.04 1pmj h LYS 45 Ca 0.04 -0.39 -0.48 0.00 -1.27 0.00 0.00 60.65 58.54 1pmj h LYS 45 Cb 1.18 0.15 -0.19 0.00 -0.41 0.00 0.00 32.23 32.95 1pmj h LYS 45 CO 0.11 1.06 -0.78 0.71 -2.27 0.00 0.00 179.45 178.28 1pmj s TYR 46 N -2.60 1.61 0.15 1.91 2.02 -1.26 -3.84 117.35 115.33 1pmj s TYR 46 Ca -0.11 -0.48 -0.07 0.00 -0.37 0.00 0.00 57.07 56.03 1pmj s TYR 46 Cb 0.07 -0.84 -0.02 0.00 -0.40 0.00 0.00 41.96 40.77 1pmj s TYR 46 CO 0.83 0.21 0.23 0.00 -1.57 0.00 0.00 175.55 175.25 1pmj s ALA 47 N -1.78 0.19 -0.31 3.71 0.00 -0.29 -4.71 121.76 118.58 1pmj s ALA 47 Ca 0.09 -1.01 -0.20 0.00 0.00 0.00 0.00 51.96 50.85 1pmj s ALA 47 Cb -0.07 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 1pmj s ALA 47 CO 0.04 -0.60 0.60 -1.17 0.00 0.00 0.00 175.76 174.64 1pmj s LEU 48 N -2.98 4.16 -0.21 0.00 2.96 -0.30 -0.75 118.68 121.56 1pmj s LEU 48 Ca 0.18 0.39 -0.14 0.00 -0.22 0.00 0.00 54.13 54.33 1pmj s LEU 48 Cb 0.04 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 1pmj s LEU 48 CO -0.00 -0.46 0.33 -0.60 -1.32 0.00 0.00 176.35 174.30 1pmj s ARG 49 N 2.56 4.15 -0.33 1.98 3.52 0.57 -0.93 118.95 130.46 1pmj s ARG 49 Ca 0.24 0.07 -0.04 0.00 -0.13 0.00 0.00 55.73 55.87 1pmj s ARG 49 Cb -0.15 -3.53 0.05 0.00 -1.56 0.00 0.00 34.95 29.76 1pmj s ARG 49 CO 0.12 -0.00 0.08 -0.51 -0.81 0.00 0.00 175.30 174.18 1pmj s LEU 50 N 1.21 4.29 -0.39 -0.88 1.43 0.25 -1.58 118.68 123.00 1pmj s LEU 50 Ca 0.16 -1.30 -0.26 0.00 -1.03 0.00 0.00 54.13 51.69 1pmj s LEU 50 Cb -0.14 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.29 1pmj s LEU 50 CO 0.07 -0.33 0.97 -1.81 0.23 0.00 0.00 176.35 175.47 1pmj s ASP 51 N 1.42 6.67 0.17 2.29 1.01 -0.40 -0.59 116.67 127.23 1pmj s ASP 51 Ca -0.02 0.53 0.08 0.00 0.71 0.00 0.00 52.55 53.85 1pmj s ASP 51 Cb -0.20 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 1pmj s ASP 51 CO 0.01 -0.94 -0.06 0.68 0.21 0.00 0.00 175.17 175.07 1pmj s VAL 52 N 3.66 3.43 -0.17 -1.27 -7.23 -0.47 0.16 120.40 118.52 1pmj s VAL 52 Ca 0.40 -1.52 -0.05 0.00 -1.81 0.00 0.00 61.98 59.00 1pmj s VAL 52 Cb -0.11 -2.70 0.06 0.00 0.56 0.00 0.00 36.38 34.19 1pmj s VAL 52 CO 0.21 -0.09 0.08 -0.70 -0.31 0.00 0.00 175.10 174.29 1pmj s GLU 53 N -2.82 0.14 0.11 4.82 2.12 -0.57 -1.84 118.70 120.65 1pmj s GLU 53 Ca 0.26 -0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.46 1pmj s GLU 53 Cb -0.09 -1.81 -0.05 0.00 0.26 0.00 0.00 34.13 32.44 1pmj s GLU 53 CO 0.16 -0.65 0.30 -0.06 -0.54 0.00 0.00 175.26 174.47 1pmj s PHE 54 N 2.10 3.50 -0.23 5.30 0.08 -0.42 -4.72 117.98 123.58 1pmj s PHE 54 Ca 0.02 0.40 -0.07 0.00 0.12 0.00 0.00 56.93 57.39 1pmj s PHE 54 Cb -0.16 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.38 1pmj s PHE 54 CO -0.09 0.51 0.07 1.21 -0.10 0.00 0.00 175.22 176.82 1pmj s ASN 55 N -2.51 5.31 0.14 1.36 3.84 -1.10 -4.33 114.94 117.66 1pmj s ASN 55 Ca 0.38 -0.12 0.19 0.00 0.21 0.00 0.00 52.86 53.52 1pmj s ASN 55 Cb -0.12 -1.94 0.80 0.00 -0.55 0.00 0.00 41.25 39.43 1pmj s ASN 55 CO 0.26 0.02 1.57 -0.81 -2.79 0.00 0.00 177.10 175.36 1pmj n PRO 56 N 4.56 0.10 -0.02 0.43 -0.04 -0.29 -1.54 135.00 138.20 1pmj n PRO 56 Ca -0.16 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 63.80 1pmj n PRO 56 Cb 0.52 -1.71 0.60 0.00 -0.04 0.00 0.00 33.50 32.87 1pmj n PRO 56 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pmj n ASN 57 N -1.90 1.07 -4.28 3.54 3.02 -1.26 -4.44 115.26 111.00 1pmj n ASN 57 Ca 0.02 -1.42 -0.36 0.00 -0.03 0.00 0.00 54.58 52.79 1pmj n ASN 57 Cb 0.18 -0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.20 1pmj n ASN 57 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1pmj s ASN 58 N -1.88 4.92 0.04 6.41 3.84 -0.59 -4.97 114.94 122.71 1pmj s ASN 58 Ca 0.38 -0.86 0.21 0.00 0.21 0.00 0.00 52.86 52.80 1pmj s ASN 58 Cb 0.20 -1.81 0.86 0.00 -0.55 0.00 0.00 41.25 39.95 1pmj s ASN 58 CO 0.32 -0.20 1.66 0.61 -2.79 0.00 0.00 177.10 176.70 1pmj n GLY 59 N 4.79 -1.23 2.60 1.21 0.00 -1.26 -1.22 105.19 110.07 1pmj n GLY 59 Ca -0.15 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1pmj n GLY 59 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1pmj n TRP 60 N -1.64 -2.61 -2.95 1.61 -0.00 -1.12 -4.34 117.44 106.40 1pmj n TRP 60 Ca 0.05 -2.19 -0.44 0.00 -0.00 0.00 0.00 57.50 54.92 1pmj n TRP 60 Cb 0.25 0.99 -0.01 0.00 -0.00 0.00 0.00 31.31 32.54 1pmj n TRP 60 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1pmj s ASP 61 N -0.23 6.99 0.34 5.87 -1.08 0.35 -4.84 116.67 124.07 1pmj s ASP 61 Ca 0.32 -2.82 -0.11 0.00 -0.52 0.00 0.00 52.55 49.42 1pmj s ASP 61 Cb 0.09 -2.40 -0.07 0.00 -1.46 0.00 0.00 42.92 39.08 1pmj s ASP 61 CO -0.14 -0.80 0.69 0.00 0.52 0.00 0.00 175.17 175.44 1pmj s GLN 62 N 1.76 3.82 -0.05 4.34 0.00 -1.26 -1.53 119.66 126.74 1pmj s GLN 62 Ca 0.41 0.42 -0.14 0.00 -0.00 0.00 0.00 55.36 56.05 1pmj s GLN 62 Cb -0.03 -2.48 0.03 0.00 0.00 0.00 0.00 33.01 30.52 1pmj s GLN 62 CO -0.02 0.11 0.32 0.20 0.00 0.00 0.00 175.29 175.91 1pmj s GLY 63 N -2.79 -0.19 -0.15 2.60 0.00 0.36 -3.57 107.32 103.59 1pmj s GLY 63 Ca 0.50 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.76 1pmj s GLY 63 CO 0.26 0.35 -0.14 0.99 0.00 0.00 0.00 173.10 174.56 1pmj s ASP 64 N -0.83 2.68 -0.19 1.64 1.01 -0.45 -1.10 116.67 119.42 1pmj s ASP 64 Ca -0.09 -0.49 -0.04 0.00 0.71 0.00 0.00 52.55 52.65 1pmj s ASP 64 Cb -0.04 -1.18 -0.02 0.00 1.01 0.00 0.00 42.92 42.69 1pmj s ASP 64 CO 0.03 -0.05 -0.04 -0.22 0.21 0.00 0.00 175.17 175.10 1pmj s LEU 65 N 1.45 3.02 0.23 1.23 2.96 -0.23 -2.44 118.68 124.91 1pmj s LEU 65 Ca 0.04 -0.29 0.11 0.00 -0.22 0.00 0.00 54.13 53.78 1pmj s LEU 65 Cb -0.13 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 1pmj s LEU 65 CO -0.10 0.06 -0.21 -0.83 -1.32 0.00 0.00 176.35 173.95 1pmj s GLY 66 N 1.03 1.78 0.16 7.98 0.00 0.17 -0.46 107.32 117.98 1pmj s GLY 66 Ca 0.01 -1.73 0.03 0.00 0.00 0.00 0.00 44.72 43.02 1pmj s GLY 66 CO 0.00 -1.79 -0.04 -1.08 0.00 0.00 0.00 173.10 170.20 1pmj s THR 67 N -2.04 0.84 -0.26 0.90 -1.32 -0.20 -1.27 115.64 112.29 1pmj s THR 67 Ca 0.25 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.67 1pmj s THR 67 Cb -0.07 -1.98 -0.01 0.00 -1.51 0.00 0.00 72.50 68.93 1pmj s THR 67 CO 0.13 -0.61 0.05 0.26 -2.21 0.00 0.00 174.62 172.23 1pmj s TRP 68 N -3.54 3.08 -0.42 9.09 0.52 -1.26 -1.52 118.94 124.89 1pmj s TRP 68 Ca 0.20 -0.76 -0.29 0.00 0.02 0.00 0.00 56.10 55.27 1pmj s TRP 68 Cb 0.05 -2.22 0.01 0.00 -1.15 0.00 0.00 33.47 30.16 1pmj s TRP 68 CO 0.02 -0.49 1.43 0.42 0.02 0.00 0.00 176.95 178.34 1pmj s ILE 69 N 1.54 3.88 0.00 2.03 -1.09 0.28 -0.77 121.20 127.08 1pmj s ILE 69 Ca 0.05 0.89 0.00 0.00 -2.23 0.00 0.00 60.65 59.36 1pmj s ILE 69 Cb -0.16 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 1pmj s ILE 69 CO 0.02 -0.77 0.00 0.61 -1.23 0.00 0.00 174.94 173.57 1pmj n GLY 70 N 5.11 0.23 3.34 6.18 0.00 -1.26 -4.64 105.19 114.15 1pmj n GLY 70 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1pmj n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pmj n GLY 71 N -1.71 2.89 3.63 -0.02 0.00 0.05 -4.96 105.19 105.08 1pmj n GLY 71 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1pmj n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pmj s VAL 72 N -2.39 4.97 0.08 1.61 1.01 -1.26 -4.93 120.40 119.50 1pmj s VAL 72 Ca 0.00 1.19 -0.31 0.00 0.00 0.00 0.00 61.98 62.87 1pmj s VAL 72 Cb 0.00 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 1pmj s VAL 72 CO 0.00 0.03 1.22 -0.69 0.00 0.00 0.00 175.10 175.66 1pmj s VAL 73 N 2.43 3.89 -1.64 2.92 1.01 -1.26 -1.74 120.40 126.01 1pmj s VAL 73 Ca 0.28 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.65 1pmj s VAL 73 Cb -0.16 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1pmj s VAL 73 CO 0.09 0.13 0.00 -0.62 0.00 0.00 0.00 175.10 174.69 1pmj n GLU 74 N 3.72 -1.59 -1.33 2.72 -0.58 -1.26 -5.00 120.64 117.32 1pmj n GLU 74 Ca 0.08 1.04 -0.32 0.00 -0.42 0.00 0.00 57.16 57.55 1pmj n GLU 74 Cb 0.46 -5.44 0.09 0.00 -0.57 0.00 0.00 31.44 25.97 1pmj n GLU 74 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1pmj s GLY 75 N -2.56 1.80 -0.02 0.62 0.00 -0.71 -4.90 107.32 101.56 1pmj s GLY 75 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 44.72 45.06 1pmj s GLY 75 CO 0.00 0.73 0.17 1.20 0.00 0.00 0.00 173.10 175.20 1pmj s GLN 76 N -4.67 3.41 -0.02 2.90 -1.52 -1.26 -1.14 119.66 117.35 1pmj s GLN 76 Ca 0.63 -0.32 0.05 0.00 -1.95 0.00 0.00 55.36 53.77 1pmj s GLN 76 Cb -0.19 -3.08 -0.01 0.00 -0.22 0.00 0.00 33.01 29.51 1pmj s GLN 76 CO 0.53 0.68 -0.16 0.12 -0.25 0.00 0.00 175.29 176.20 1pmj s PHE 77 N -1.30 1.52 -0.58 0.91 5.36 -0.10 -4.82 117.98 118.97 1pmj s PHE 77 Ca 0.26 -0.34 -0.21 0.00 -0.96 0.00 0.00 56.93 55.67 1pmj s PHE 77 Cb -0.13 -1.00 0.07 0.00 -0.34 0.00 0.00 43.02 41.62 1pmj s PHE 77 CO 0.17 -0.08 0.83 0.34 -1.46 0.00 0.00 175.22 175.03 1pmj s ASP 78 N -0.21 6.23 0.00 6.13 -1.08 -1.26 -1.54 116.67 124.94 1pmj s ASP 78 Ca 0.02 -0.89 0.13 0.00 -0.52 0.00 0.00 52.55 51.30 1pmj s ASP 78 Cb -0.08 -2.37 0.71 0.00 -1.46 0.00 0.00 42.92 39.72 1pmj s ASP 78 CO 0.00 -1.19 1.47 0.49 0.52 0.00 0.00 175.17 176.46 1pmj n PHE 79 N 7.02 0.05 -1.66 -5.34 3.72 -0.46 -4.88 117.46 115.92 1pmj n PHE 79 Ca -0.04 -0.03 -0.48 0.00 -0.05 0.00 0.00 57.45 56.85 1pmj n PHE 79 Cb 0.45 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.95 1pmj n PHE 79 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1pmj n THR 80 N -0.50 0.11 -0.96 4.37 -1.04 -1.25 -1.21 114.28 113.79 1pmj n THR 80 Ca 0.10 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1pmj n THR 80 Cb 0.09 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 1pmj n THR 80 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pmj n GLY 81 N 3.44 0.84 3.81 3.41 0.00 -1.26 -4.90 105.19 110.53 1pmj n GLY 81 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1pmj n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pmj s TYR 82 N -3.45 3.54 0.00 1.61 1.51 -0.35 -4.33 117.35 115.88 1pmj s TYR 82 Ca 0.00 0.51 0.00 0.00 -1.01 0.00 0.00 57.07 56.57 1pmj s TYR 82 Cb 0.00 -2.09 0.00 0.00 -0.11 0.00 0.00 41.96 39.76 1pmj s TYR 82 CO 0.00 0.53 0.00 1.63 -1.11 0.00 0.00 175.55 176.60 1pmj n LYS 83 N 2.63 4.43 -3.54 -0.62 5.02 0.22 -4.80 118.16 121.50 1pmj n LYS 83 Ca -0.17 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.00 1pmj n LYS 83 Cb 0.53 -0.54 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1pmj n LYS 83 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pmj s SER 84 N -1.02 -0.41 -0.11 4.39 1.04 -1.11 -1.14 113.70 115.34 1pmj s SER 84 Ca 0.00 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.37 1pmj s SER 84 Cb 0.00 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.65 1pmj s SER 84 CO 0.00 -0.87 -0.20 -0.69 0.98 0.00 0.00 173.24 172.47 1pmj s VAL 85 N -3.47 1.82 0.17 5.02 1.01 0.00 -0.90 120.40 124.05 1pmj s VAL 85 Ca 0.00 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.22 1pmj s VAL 85 Cb 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1pmj s VAL 85 CO -0.10 0.50 -0.11 -0.70 0.00 0.00 0.00 175.10 174.69 1pmj s GLU 86 N 0.74 2.01 0.13 2.72 2.12 -0.29 -0.57 118.70 125.56 1pmj s GLU 86 Ca -0.10 -1.27 -0.25 0.00 0.36 0.00 0.00 54.97 53.71 1pmj s GLU 86 Cb -0.16 -2.14 0.07 0.00 0.26 0.00 0.00 34.13 32.16 1pmj s GLU 86 CO 0.01 0.44 0.76 -0.59 -0.54 0.00 0.00 175.26 175.34 1pmj s PHE 87 N -1.63 -0.36 0.01 5.30 -0.71 -0.92 -0.89 117.98 118.78 1pmj s PHE 87 Ca 0.24 0.11 0.05 0.00 -1.04 0.00 0.00 56.93 56.29 1pmj s PHE 87 Cb -0.09 0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 42.30 1pmj s PHE 87 CO 0.14 -0.83 -0.16 -1.21 -1.34 0.00 0.00 175.22 171.83 1pmj s GLU 88 N -3.52 1.20 0.03 1.99 2.02 -0.60 -2.69 118.70 117.12 1pmj s GLU 88 Ca 0.06 -0.67 0.07 0.00 0.02 0.00 0.00 54.97 54.45 1pmj s GLU 88 Cb -0.02 -1.20 -0.02 0.00 0.10 0.00 0.00 34.13 32.99 1pmj s GLU 88 CO -0.06 0.32 -0.22 -1.64 0.02 0.00 0.00 175.26 173.68 1pmj s MET 89 N -0.70 1.58 -0.07 1.61 -1.94 -0.05 -1.36 119.30 118.37 1pmj s MET 89 Ca 0.05 -0.92 0.02 0.00 -1.71 0.00 0.00 55.69 53.13 1pmj s MET 89 Cb -0.07 -1.65 0.02 0.00 2.01 0.00 0.00 34.83 35.13 1pmj s MET 89 CO 0.00 0.43 -0.11 -0.06 -0.01 0.00 0.00 175.02 175.27 1pmj s PHE 90 N -0.71 1.42 -0.09 -0.03 0.40 0.19 -1.11 117.98 118.05 1pmj s PHE 90 Ca 0.09 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.87 1pmj s PHE 90 Cb -0.09 -1.07 0.02 0.00 0.51 0.00 0.00 43.02 42.39 1pmj s PHE 90 CO 0.01 -0.31 -0.09 0.42 0.70 0.00 0.00 175.22 175.95 1pmj s ILE 91 N 0.83 1.04 -0.00 0.64 1.09 -0.25 -0.36 121.20 124.18 1pmj s ILE 91 Ca -0.12 -0.35 -0.35 0.00 -1.10 0.00 0.00 60.65 58.73 1pmj s ILE 91 Cb -0.15 -1.01 -0.14 0.00 -1.06 0.00 0.00 42.46 40.10 1pmj s ILE 91 CO 0.02 0.35 1.68 -2.65 -0.10 0.00 0.00 174.94 174.24 1pmj n PRO 92 N 4.46 1.88 -0.03 2.79 -0.02 -1.26 -0.70 135.00 142.11 1pmj n PRO 92 Ca -0.17 0.68 -0.13 0.00 -2.02 0.00 0.00 63.50 61.86 1pmj n PRO 92 Cb 0.51 -2.45 -0.08 0.00 -0.02 0.00 0.00 33.50 31.45 1pmj n PRO 92 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1pmj h TYR 93 N 7.12 0.22 -0.18 6.00 3.20 -1.23 -1.47 116.97 130.62 1pmj h TYR 93 Ca -0.47 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.33 1pmj h TYR 93 Cb 1.28 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 1pmj h TYR 93 CO 0.74 0.61 0.07 -0.44 -1.64 0.00 0.00 178.16 177.50 1pmj h ASP 94 N -0.24 0.25 -0.62 -2.11 3.32 -1.90 0.13 116.42 115.25 1pmj h ASP 94 Ca 0.01 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 1pmj h ASP 94 Cb 0.57 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1pmj h ASP 94 CO 0.02 0.34 0.16 -0.33 -1.72 0.00 0.00 179.24 177.70 1pmj h GLU 95 N 0.14 1.00 -0.18 3.56 4.39 -1.94 -2.67 114.58 118.88 1pmj h GLU 95 Ca 0.06 -0.24 -0.11 0.00 0.34 0.00 0.00 59.36 59.41 1pmj h GLU 95 Cb 0.17 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1pmj h GLU 95 CO -0.01 0.90 -0.38 0.35 -1.16 0.00 0.00 179.01 178.71 1pmj h PHE 96 N 0.91 0.46 0.00 4.33 3.57 -1.03 -2.81 116.94 122.37 1pmj h PHE 96 Ca 0.20 -0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1pmj h PHE 96 Cb 0.35 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1pmj h PHE 96 CO 0.03 0.73 -0.33 1.03 -2.23 0.00 0.00 178.31 177.53 1pmj h SER 97 N 0.33 0.00 1.55 0.41 0.87 -0.45 -2.26 113.55 114.00 1pmj h SER 97 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1pmj h SER 97 Cb 0.83 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1pmj h SER 97 CO 0.07 0.33 0.00 0.11 -0.53 0.00 0.00 176.83 176.81 1pmj h LYS 98 N 0.00 0.00 -7.18 2.24 1.57 -1.22 -3.47 116.57 108.50 1pmj h LYS 98 Ca -0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 1pmj h LYS 98 Cb 0.68 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.02 1pmj h LYS 98 CO 0.04 0.00 0.38 -1.54 -0.57 0.00 0.00 179.45 177.76 1pmj s SER 99 N -5.12 6.41 0.50 0.86 1.04 -0.85 -5.07 113.70 111.48 1pmj s SER 99 Ca 0.08 1.65 -0.08 0.00 0.48 0.00 0.00 55.95 58.09 1pmj s SER 99 Cb 0.09 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 1pmj s SER 99 CO 0.60 -0.73 0.85 -1.10 0.98 0.00 0.00 173.24 173.83 1pmj s GLN 100 N -4.01 3.60 3.80 4.02 -0.21 -1.26 -4.95 119.66 120.65 1pmj s GLN 100 Ca 0.61 0.39 0.00 0.00 0.02 0.00 0.00 55.36 56.37 1pmj s GLN 100 Cb -0.12 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.59 1pmj s GLN 100 CO 0.32 -0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.63 1pmj n GLY 101 N -2.22 0.43 2.43 3.09 0.00 -1.24 -3.57 105.19 104.12 1pmj n GLY 101 Ca 0.02 -0.89 -0.04 0.00 0.00 0.00 0.00 46.02 45.11 1pmj n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pmj n GLY 102 N 0.00 1.08 3.19 -0.02 0.00 -0.99 -4.83 105.19 103.62 1pmj n GLY 102 Ca 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1pmj n GLY 102 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pmj s PHE 103 N -4.04 1.01 0.19 1.61 -0.12 -0.46 -0.47 117.98 115.71 1pmj s PHE 103 Ca 0.13 -0.94 0.10 0.00 -0.05 0.00 0.00 56.93 56.16 1pmj s PHE 103 Cb -0.02 -0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 41.75 1pmj s PHE 103 CO 0.05 -0.16 -0.19 0.00 -0.05 0.00 0.00 175.22 174.87 1pmj s ALA 104 N -3.62 2.24 0.04 1.99 0.00 0.04 -0.78 121.76 121.67 1pmj s ALA 104 Ca 0.16 -1.60 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 1pmj s ALA 104 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1pmj s ALA 104 CO -0.02 0.27 -0.01 1.52 0.00 0.00 0.00 175.76 177.52 1pmj s TYR 105 N -2.13 0.40 0.03 0.00 -0.85 -0.43 -0.68 117.35 113.69 1pmj s TYR 105 Ca 0.20 -0.83 0.04 0.00 -0.52 0.00 0.00 57.07 55.96 1pmj s TYR 105 Cb -0.06 -0.29 -0.02 0.00 0.38 0.00 0.00 41.96 41.97 1pmj s TYR 105 CO 0.09 -0.32 -0.13 0.15 -1.52 0.00 0.00 175.55 173.82 1pmj s LYS 106 N -3.03 0.84 -0.15 -3.49 1.02 -0.55 -1.70 119.74 112.69 1pmj s LYS 106 Ca -0.01 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.28 1pmj s LYS 106 Cb 0.01 -0.82 -0.00 0.00 -0.52 0.00 0.00 37.83 36.51 1pmj s LYS 106 CO -0.07 0.20 -0.16 0.08 -0.92 0.00 0.00 175.35 174.48 1pmj s VAL 107 N -0.84 2.57 -0.02 3.17 1.01 -0.33 -1.14 120.40 124.83 1pmj s VAL 107 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1pmj s VAL 107 Cb -0.08 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1pmj s VAL 107 CO 0.01 0.52 -0.02 -0.69 0.00 0.00 0.00 175.10 174.92 1pmj s VAL 108 N 0.81 0.21 -0.40 2.92 1.01 -0.27 -0.26 120.40 124.42 1pmj s VAL 108 Ca -0.06 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 1pmj s VAL 108 Cb -0.15 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.01 1pmj s VAL 108 CO -0.00 0.10 0.66 -0.63 0.00 0.00 0.00 175.10 175.23 1pmj s ILE 109 N 0.45 4.83 -1.32 2.22 1.01 -0.37 -0.48 121.20 127.54 1pmj s ILE 109 Ca -0.04 0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.92 1pmj s ILE 109 Cb -0.07 -4.16 0.14 0.00 0.01 0.00 0.00 42.46 38.38 1pmj s ILE 109 CO -0.01 -0.48 2.05 -3.20 0.00 0.00 0.00 174.94 173.31 1pmj n ASN 110 N 6.23 5.75 -3.85 3.58 5.15 0.31 -1.37 115.26 131.05 1pmj n ASN 110 Ca -0.01 -3.08 -0.30 0.00 -0.60 0.00 0.00 54.58 50.59 1pmj n ASN 110 Cb 0.48 -1.47 -0.14 0.00 -0.53 0.00 0.00 39.78 38.12 1pmj n ASN 110 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1pmj s ASP 111 N 0.97 4.17 -0.07 1.20 -1.08 -1.26 -4.62 116.67 115.97 1pmj s ASP 111 Ca 0.44 -2.40 0.00 0.00 -0.52 0.00 0.00 52.55 50.07 1pmj s ASP 111 Cb 0.12 -1.29 0.00 0.00 -1.46 0.00 0.00 42.92 40.29 1pmj s ASP 111 CO -0.03 -0.32 0.00 0.61 0.52 0.00 0.00 175.17 175.96 1pmj n GLY 112 N 3.88 0.47 3.39 2.66 0.00 -1.26 -4.30 105.19 110.03 1pmj n GLY 112 Ca 0.04 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 1pmj n GLY 112 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1pmj n TRP 113 N -2.96 -2.44 -3.24 1.61 -0.00 -1.25 -4.93 117.44 104.22 1pmj n TRP 113 Ca -0.01 0.85 -0.44 0.00 -0.00 0.00 0.00 57.50 57.91 1pmj n TRP 113 Cb 0.03 -3.70 -0.07 0.00 -0.00 0.00 0.00 31.31 27.57 1pmj n TRP 113 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1pmj s LYS 114 N -4.39 3.09 -0.02 5.87 2.47 -0.47 -4.98 119.74 121.30 1pmj s LYS 114 Ca 0.21 -0.97 -0.30 0.00 -1.56 0.00 0.00 55.97 53.35 1pmj s LYS 114 Cb -0.06 -4.08 -0.05 0.00 -1.46 0.00 0.00 37.83 32.19 1pmj s LYS 114 CO 0.80 -1.10 1.32 -1.21 0.16 0.00 0.00 175.35 175.33 1pmj s GLU 115 N 2.30 4.31 -0.01 4.03 2.02 -1.26 -1.23 118.70 128.85 1pmj s GLU 115 Ca 0.12 1.85 0.03 0.00 0.02 0.00 0.00 54.97 56.98 1pmj s GLU 115 Cb -0.20 -3.57 -0.25 0.00 0.10 0.00 0.00 34.13 30.21 1pmj s GLU 115 CO 0.11 -0.53 0.78 -0.07 0.02 0.00 0.00 175.26 175.58 1pmj h LEU 116 N 8.32 0.22 -7.13 1.80 3.38 -0.95 -3.48 115.31 117.47 1pmj h LEU 116 Ca -0.36 -0.36 0.35 0.00 0.09 0.00 0.00 57.88 57.60 1pmj h LEU 116 Cb 1.17 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.72 1pmj h LEU 116 CO 0.90 1.31 0.90 -0.83 0.09 0.00 0.00 178.44 180.80 1pmj s GLY 117 N -5.06 -0.45 0.10 0.83 0.00 -1.16 -4.53 107.32 97.05 1pmj s GLY 117 Ca -0.08 0.84 -0.25 0.00 0.00 0.00 0.00 44.72 45.22 1pmj s GLY 117 CO 0.83 0.16 0.65 -1.35 0.00 0.00 0.00 173.10 173.39 1pmj s SER 118 N -2.96 -0.56 0.00 1.64 1.04 -1.26 -1.19 113.70 110.41 1pmj s SER 118 Ca 0.14 0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.67 1pmj s SER 118 Cb 0.06 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.74 1pmj s SER 118 CO -0.05 -0.85 0.10 -1.61 0.98 0.00 0.00 173.24 171.81 1pmj s GLU 119 N -3.14 0.42 0.26 4.02 2.02 -0.69 -5.01 118.70 116.58 1pmj s GLU 119 Ca -0.01 -0.41 0.10 0.00 0.02 0.00 0.00 54.97 54.67 1pmj s GLU 119 Cb -0.01 0.17 -0.05 0.00 0.10 0.00 0.00 34.13 34.34 1pmj s GLU 119 CO -0.08 -0.09 -0.16 -0.06 0.02 0.00 0.00 175.26 174.89 1pmj s PHE 120 N -1.30 2.05 -1.44 1.61 0.40 -1.26 -1.32 117.98 116.72 1pmj s PHE 120 Ca -0.14 -0.46 -0.05 0.00 -0.60 0.00 0.00 56.93 55.68 1pmj s PHE 120 Cb -0.08 -0.95 0.01 0.00 0.51 0.00 0.00 43.02 42.51 1pmj s PHE 120 CO 0.01 0.54 0.66 0.09 0.70 0.00 0.00 175.22 177.23 1pmj n ASN 121 N -0.54 -5.94 -4.70 1.36 3.02 -1.15 -4.94 115.26 102.37 1pmj n ASN 121 Ca -0.06 -0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 53.76 1pmj n ASN 121 Cb 0.61 -4.73 -0.03 0.00 -0.61 0.00 0.00 39.78 35.01 1pmj n ASN 121 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pmj s ILE 122 N -3.17 3.10 0.41 2.41 1.01 0.04 -4.79 121.20 120.20 1pmj s ILE 122 Ca 0.33 0.68 0.04 0.00 0.00 0.00 0.00 60.65 61.71 1pmj s ILE 122 Cb -0.14 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 1pmj s ILE 122 CO 0.41 0.03 0.16 0.42 0.00 0.00 0.00 174.94 175.95 1pmj s THR 123 N 1.82 0.48 0.48 2.92 -4.23 -1.26 -1.35 115.64 114.49 1pmj s THR 123 Ca 0.69 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.54 1pmj s THR 123 Cb -0.39 -2.33 0.37 0.00 1.34 0.00 0.00 72.50 71.49 1pmj s THR 123 CO 0.31 0.00 2.19 0.00 -0.54 0.00 0.00 174.62 176.57 1pmj h ALA 124 N 1.80 1.19 -0.01 3.99 0.00 -1.92 -1.10 119.26 123.21 1pmj h ALA 124 Ca -0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1pmj h ALA 124 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1pmj h ALA 124 CO 0.53 0.06 -0.07 0.09 0.00 0.00 0.00 179.25 179.85 1pmj n ASN 125 N -3.42 0.84 -4.74 0.00 3.02 -1.26 -4.74 115.26 104.96 1pmj n ASN 125 Ca -0.02 -1.04 -0.30 0.00 -0.03 0.00 0.00 54.58 53.19 1pmj n ASN 125 Cb 0.17 -0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.46 1pmj n ASN 125 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pmj s ALA 126 N -2.22 1.73 0.00 5.41 0.00 -0.42 -4.85 121.76 121.41 1pmj s ALA 126 Ca 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1pmj s ALA 126 Cb 0.21 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1pmj s ALA 126 CO 0.41 -2.19 0.00 0.41 0.00 0.00 0.00 175.76 174.39 1pmj n GLY 127 N -1.42 3.40 3.14 0.00 0.00 -1.26 -4.59 105.19 104.46 1pmj n GLY 127 Ca 0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1pmj n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pmj s LYS 128 N 0.00 0.74 -0.20 1.61 -2.85 -0.96 -4.97 119.74 113.11 1pmj s LYS 128 Ca 0.00 -1.23 -0.08 0.00 -1.00 0.00 0.00 55.97 53.67 1pmj s LYS 128 Cb 0.00 -0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.60 1pmj s LYS 128 CO 0.00 -0.03 0.07 0.21 0.10 0.00 0.00 175.35 175.70 1pmj s LYS 129 N -3.53 3.89 -0.02 1.78 2.20 -1.26 -0.32 119.74 122.49 1pmj s LYS 129 Ca 0.08 -0.38 0.03 0.00 -0.36 0.00 0.00 55.97 55.34 1pmj s LYS 129 Cb 0.04 -3.26 -0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1pmj s LYS 129 CO -0.05 0.13 -0.11 0.08 -0.36 0.00 0.00 175.35 175.04 1pmj s VAL 130 N 0.76 0.95 -0.15 4.02 1.01 -0.32 -4.94 120.40 121.72 1pmj s VAL 130 Ca 0.04 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 1pmj s VAL 130 Cb -0.13 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1pmj s VAL 130 CO 0.02 0.28 0.52 -0.75 0.00 0.00 0.00 175.10 175.17 1pmj s LYS 131 N -0.01 4.28 -0.06 2.72 2.20 -1.26 -0.37 119.74 127.24 1pmj s LYS 131 Ca -0.00 0.47 0.01 0.00 -0.36 0.00 0.00 55.97 56.09 1pmj s LYS 131 Cb -0.08 -3.49 0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1pmj s LYS 131 CO 0.00 0.01 -0.07 0.42 -0.36 0.00 0.00 175.35 175.36 1pmj s ILE 132 N 1.11 0.76 -1.48 5.43 1.01 0.22 -4.89 121.20 123.36 1pmj s ILE 132 Ca 0.26 -0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 1pmj s ILE 132 Cb -0.15 -0.76 0.05 0.00 0.01 0.00 0.00 42.46 41.60 1pmj s ILE 132 CO 0.10 0.29 0.60 0.59 0.00 0.00 0.00 174.94 176.52 1pmj n ASN 133 N 4.25 -1.62 0.00 3.58 3.02 -1.26 -1.49 115.26 121.74 1pmj n ASN 133 Ca -0.20 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 1pmj n ASN 133 Cb 0.51 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 36.48 1pmj n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pmj n GLY 134 N -1.78 1.62 3.14 7.41 0.00 -1.26 -5.02 105.19 109.31 1pmj n GLY 134 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 1pmj n GLY 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pmj s LYS 135 N -0.42 2.33 0.36 1.61 2.20 -0.56 -5.11 119.74 120.15 1pmj s LYS 135 Ca 0.00 -0.68 -0.26 0.00 -0.36 0.00 0.00 55.97 54.67 1pmj s LYS 135 Cb 0.00 -1.86 -0.09 0.00 -1.51 0.00 0.00 37.83 34.37 1pmj s LYS 135 CO 0.00 0.16 1.09 -0.51 -0.36 0.00 0.00 175.35 175.73 1pmj s ASP 136 N 0.35 6.89 -0.02 1.43 1.01 -1.26 -0.61 116.67 124.47 1pmj s ASP 136 Ca -0.14 2.19 0.04 0.00 0.71 0.00 0.00 52.55 55.36 1pmj s ASP 136 Cb -0.16 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.16 1pmj s ASP 136 CO 0.06 -0.41 -0.14 -0.31 0.21 0.00 0.00 175.17 174.58 1pmj s TYR 137 N -1.42 1.28 0.02 4.23 1.51 0.50 -0.71 117.35 122.76 1pmj s TYR 137 Ca 0.53 -0.28 -0.30 0.00 -1.01 0.00 0.00 57.07 56.00 1pmj s TYR 137 Cb -0.28 -0.85 -0.05 0.00 -0.11 0.00 0.00 41.96 40.67 1pmj s TYR 137 CO 0.35 -0.06 1.25 0.99 -1.11 0.00 0.00 175.55 176.97 1pmj s THR 138 N -0.16 3.99 -0.16 -0.71 2.01 0.12 -1.17 115.64 119.55 1pmj s THR 138 Ca 0.02 1.39 0.02 0.00 0.31 0.00 0.00 61.69 63.43 1pmj s THR 138 Cb -0.07 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.56 1pmj s THR 138 CO 0.00 0.06 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.09 1pmj s VAL 139 N 1.63 2.11 -0.18 3.82 1.01 0.57 -1.09 120.40 128.27 1pmj s VAL 139 Ca 0.59 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 1pmj s VAL 139 Cb -0.29 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1pmj s VAL 139 CO 0.27 0.54 0.04 -0.63 0.00 0.00 0.00 175.10 175.31 1pmj s ILE 140 N 1.01 4.52 -0.09 2.22 -1.09 -0.26 -2.26 121.20 125.24 1pmj s ILE 140 Ca -0.02 -0.13 -0.03 0.00 -2.23 0.00 0.00 60.65 58.24 1pmj s ILE 140 Cb -0.14 -3.03 0.05 0.00 -1.58 0.00 0.00 42.46 37.76 1pmj s ILE 140 CO -0.06 0.46 0.16 -2.28 -1.23 0.00 0.00 174.94 171.99 1pmj s HIS 141 N 0.45 -0.19 0.03 3.97 5.65 -1.26 -0.87 115.29 123.07 1pmj s HIS 141 Ca 0.01 0.62 -0.03 0.00 0.25 0.00 0.00 55.06 55.92 1pmj s HIS 141 Cb -0.13 -0.24 -0.02 0.00 -1.18 0.00 0.00 32.58 31.01 1pmj s HIS 141 CO 0.01 -0.27 0.03 0.15 -0.65 0.00 0.00 174.74 174.01 1pmj s LYS 142 N 2.24 0.46 -0.10 2.88 -0.14 -1.10 -5.04 119.74 118.95 1pmj s LYS 142 Ca 0.02 -0.71 0.03 0.00 -1.36 0.00 0.00 55.97 53.95 1pmj s LYS 142 Cb -0.12 0.17 0.01 0.00 -1.68 0.00 0.00 37.83 36.21 1pmj s LYS 142 CO -0.06 -0.10 -0.18 0.00 -0.76 0.00 0.00 175.35 174.25 1pmj s ALA 143 N -2.15 1.84 0.02 5.17 0.00 -1.26 -2.18 121.76 123.22 1pmj s ALA 143 Ca -0.09 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.11 1pmj s ALA 143 Cb -0.04 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 1pmj s ALA 143 CO -0.03 0.07 -0.10 -0.06 0.00 0.00 0.00 175.76 175.64 1pmj s PHE 144 N 0.71 2.79 0.43 0.00 0.08 0.27 -4.87 117.98 117.38 1pmj s PHE 144 Ca -0.12 -0.11 -0.25 0.00 0.12 0.00 0.00 56.93 56.57 1pmj s PHE 144 Cb -0.16 -1.55 -0.08 0.00 -0.57 0.00 0.00 43.02 40.66 1pmj s PHE 144 CO 0.02 0.34 1.24 0.00 -0.10 0.00 0.00 175.22 176.73 1pmj s ALA 145 N -1.00 3.13 -0.39 5.36 0.00 -1.26 -0.82 121.76 126.78 1pmj s ALA 145 Ca 0.17 1.10 -0.21 0.00 0.00 0.00 0.00 51.96 53.02 1pmj s ALA 145 Cb -0.11 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1pmj s ALA 145 CO 0.08 -0.74 0.67 0.42 0.00 0.00 0.00 175.76 176.18 1pmj s ILE 146 N -1.37 4.82 0.65 0.00 1.01 -0.30 -4.82 121.20 121.20 1pmj s ILE 146 Ca 0.59 0.46 -0.17 0.00 0.00 0.00 0.00 60.65 61.53 1pmj s ILE 146 Cb -0.34 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 1pmj s ILE 146 CO 0.43 -0.46 1.17 -2.16 0.00 0.00 0.00 174.94 173.91 1pmj s PRO 147 N 2.86 2.72 0.32 2.79 0.04 -1.26 -4.78 135.00 137.69 1pmj s PRO 147 Ca 0.25 1.64 0.06 0.00 0.04 0.00 0.00 61.00 62.99 1pmj s PRO 147 Cb -0.14 -1.92 0.72 0.00 0.04 0.00 0.00 34.50 33.20 1pmj s PRO 147 CO 0.17 -1.36 1.85 1.49 0.04 0.00 0.00 177.00 179.19 1pmj h GLU 148 N 0.30 0.79 0.00 4.56 4.81 -1.97 -0.50 114.58 122.58 1pmj h GLU 148 Ca -0.48 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1pmj h GLU 148 Cb 1.28 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1pmj h GLU 148 CO 0.53 0.52 -0.00 0.38 -0.73 0.00 0.00 179.01 179.71 1pmj h ASP 149 N 0.81 0.00 -0.15 1.04 2.03 -2.02 -2.08 116.42 116.05 1pmj h ASP 149 Ca 0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.78 1pmj h ASP 149 Cb 0.66 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 1pmj h ASP 149 CO -0.25 0.00 0.00 0.49 -1.03 0.00 0.00 179.24 178.45 1pmj n PHE 150 N -3.26 0.16 -2.13 4.15 3.01 -0.20 -4.70 117.46 114.49 1pmj n PHE 150 Ca -0.03 -0.08 -0.42 0.00 1.01 0.00 0.00 57.45 57.92 1pmj n PHE 150 Cb 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 1pmj n PHE 150 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1pmj n ARG 151 N 1.28 3.25 -3.24 -1.08 1.74 -0.78 -4.62 116.66 113.20 1pmj n ARG 151 Ca 0.16 -3.14 -0.04 0.00 -0.77 0.00 0.00 57.85 54.06 1pmj n ARG 151 Cb 0.58 -3.13 0.02 0.00 -1.02 0.00 0.00 32.46 28.91 1pmj n ARG 151 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1pmj n THR 152 N 4.37 0.00 -2.16 0.55 5.66 -1.26 -3.75 114.28 117.69 1pmj n THR 152 Ca 0.45 -0.59 -0.42 0.00 -3.05 0.00 0.00 64.05 60.44 1pmj n THR 152 Cb 0.38 0.68 -0.03 0.00 -1.55 0.00 0.00 70.33 69.82 1pmj n THR 152 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1pmj s LYS 153 N -2.05 4.31 0.04 1.09 1.02 -1.26 -1.35 119.74 121.54 1pmj s LYS 153 Ca 0.15 2.08 -0.06 0.00 0.02 0.00 0.00 55.97 58.17 1pmj s LYS 153 Cb -0.03 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.98 1pmj s LYS 153 CO 0.07 -0.47 0.10 0.15 -0.92 0.00 0.00 175.35 174.28 1pmj s LYS 154 N 1.29 0.61 0.07 1.68 -0.14 -0.59 -4.95 119.74 117.72 1pmj s LYS 154 Ca 0.65 -0.79 -0.34 0.00 -1.36 0.00 0.00 55.97 54.13 1pmj s LYS 154 Cb -0.37 0.24 -0.13 0.00 -1.68 0.00 0.00 37.83 35.89 1pmj s LYS 154 CO 0.30 -0.15 1.67 -2.13 -0.76 0.00 0.00 175.35 174.27 1pmj n ARG 155 N 0.67 2.10 -0.74 1.68 0.63 -1.26 -0.92 116.66 118.82 1pmj n ARG 155 Ca -0.18 0.76 -0.13 0.00 -0.92 0.00 0.00 57.85 57.38 1pmj n ARG 155 Cb 0.59 -2.55 0.05 0.00 0.45 0.00 0.00 32.46 31.00 1pmj n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pmj n ALA 156 N 4.42 4.59 -3.05 5.13 0.00 -0.29 -4.39 120.51 126.92 1pmj n ALA 156 Ca 0.19 -1.39 -0.37 0.00 0.00 0.00 0.00 53.44 51.87 1pmj n ALA 156 Cb 0.28 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 1pmj n ALA 156 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1pmj s GLN 157 N -1.55 3.64 -0.23 0.00 0.74 -1.26 -0.55 119.66 120.45 1pmj s GLN 157 Ca 0.26 -0.49 -0.11 0.00 0.05 0.00 0.00 55.36 55.08 1pmj s GLN 157 Cb 0.21 -3.34 -0.05 0.00 1.10 0.00 0.00 33.01 30.93 1pmj s GLN 157 CO 0.01 -0.20 0.16 -1.17 -0.55 0.00 0.00 175.29 173.54 1pmj s LEU 158 N 1.62 4.14 -0.07 3.68 2.96 -0.58 -0.53 118.68 129.90 1pmj s LEU 158 Ca 0.06 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 1pmj s LEU 158 Cb -0.15 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.41 1pmj s LEU 158 CO 0.04 0.09 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.26 1pmj s VAL 159 N 0.88 2.43 -0.28 1.68 1.01 0.37 -1.03 120.40 125.46 1pmj s VAL 159 Ca 0.08 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 1pmj s VAL 159 Cb -0.13 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 1pmj s VAL 159 CO 0.03 0.56 0.06 -0.36 0.00 0.00 0.00 175.10 175.40 1pmj s PHE 160 N -0.12 3.11 -0.09 5.22 0.40 0.39 -1.11 117.98 125.79 1pmj s PHE 160 Ca -0.04 -0.85 -0.14 0.00 -0.60 0.00 0.00 56.93 55.30 1pmj s PHE 160 Cb -0.14 -2.23 -0.05 0.00 0.51 0.00 0.00 43.02 41.11 1pmj s PHE 160 CO 0.04 -0.53 0.34 -1.14 0.70 0.00 0.00 175.22 174.63 1pmj s GLN 161 N 1.52 4.04 -0.04 0.44 0.74 -0.29 -1.06 119.66 125.01 1pmj s GLN 161 Ca 0.04 0.22 0.07 0.00 0.05 0.00 0.00 55.36 55.74 1pmj s GLN 161 Cb -0.16 -3.32 -0.01 0.00 1.10 0.00 0.00 33.01 30.61 1pmj s GLN 161 CO 0.02 0.46 -0.24 -0.06 -0.55 0.00 0.00 175.29 174.92 1pmj s PHE 162 N -0.27 2.25 -0.06 1.67 0.40 -0.25 -1.48 117.98 120.24 1pmj s PHE 162 Ca 0.20 -0.54 -0.03 0.00 -0.60 0.00 0.00 56.93 55.97 1pmj s PHE 162 Cb -0.14 -1.46 0.04 0.00 0.51 0.00 0.00 43.02 41.96 1pmj s PHE 162 CO 0.08 -0.12 0.12 0.00 0.70 0.00 0.00 175.22 176.00 1pmj s ALA 163 N -0.37 -0.04 0.16 5.36 0.00 0.15 -0.48 121.76 126.54 1pmj s ALA 163 Ca 0.03 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 1pmj s ALA 163 Cb -0.11 -0.66 -0.08 0.00 0.00 0.00 0.00 23.12 22.27 1pmj s ALA 163 CO 0.01 -0.45 1.28 0.20 0.00 0.00 0.00 175.76 176.81 1pmj s GLY 164 N 2.00 2.42 -0.74 0.00 0.00 -0.58 -0.78 107.32 109.64 1pmj s GLY 164 Ca 0.01 1.04 -0.04 0.00 0.00 0.00 0.00 44.72 45.73 1pmj s GLY 164 CO -0.05 2.06 0.59 1.20 0.00 0.00 0.00 173.10 176.90 1pmj s GLN 165 N 0.21 2.92 -1.65 2.90 -0.21 0.38 -0.50 119.66 123.72 1pmj s GLN 165 Ca 0.57 -2.77 -0.13 0.00 0.02 0.00 0.00 55.36 53.05 1pmj s GLN 165 Cb -0.35 -3.89 0.12 0.00 1.00 0.00 0.00 33.01 29.89 1pmj s GLN 165 CO 0.35 -1.22 0.60 0.09 -2.12 0.00 0.00 175.29 172.99 1pmj n ASN 166 N 3.16 -1.99 -4.88 5.90 4.13 -0.36 -2.35 115.26 118.87 1pmj n ASN 166 Ca 0.13 -1.07 -0.33 0.00 1.68 0.00 0.00 54.58 54.99 1pmj n ASN 166 Cb 0.39 -2.55 -0.05 0.00 -1.54 0.00 0.00 39.78 36.03 1pmj n ASN 166 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1pmj s SER 167 N -3.65 6.56 -0.16 6.41 0.15 -1.26 -3.61 113.70 118.15 1pmj s SER 167 Ca 0.51 0.70 0.17 0.00 0.70 0.00 0.00 55.95 58.03 1pmj s SER 167 Cb -0.28 -2.14 0.47 0.00 -1.71 0.00 0.00 66.02 62.36 1pmj s SER 167 CO 0.94 0.09 1.36 -0.46 1.20 0.00 0.00 173.24 176.37 1pmj n ASN 168 N 0.38 3.54 -4.71 5.45 6.94 -1.23 -1.14 115.26 124.48 1pmj n ASN 168 Ca -0.04 -2.97 -0.42 0.00 -0.02 0.00 0.00 54.58 51.13 1pmj n ASN 168 Cb 0.52 -0.50 -0.03 0.00 -2.36 0.00 0.00 39.78 37.41 1pmj n ASN 168 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1pmj s TYR 169 N -2.72 3.20 -0.16 -2.53 5.04 -1.26 -4.76 117.35 114.16 1pmj s TYR 169 Ca 0.39 0.89 -0.01 0.00 -2.44 0.00 0.00 57.07 55.90 1pmj s TYR 169 Cb 0.32 -3.72 0.04 0.00 0.35 0.00 0.00 41.96 38.94 1pmj s TYR 169 CO 0.08 -2.56 -0.05 0.21 -1.34 0.00 0.00 175.55 171.88 1pmj s LYS 170 N 1.16 1.43 0.00 4.97 2.20 -1.26 -1.31 119.74 126.93 1pmj s LYS 170 Ca 0.65 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 1pmj s LYS 170 Cb -0.38 -1.92 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 1pmj s LYS 170 CO 0.30 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 1pmj n GLY 171 N 4.89 -0.84 3.80 5.54 0.00 -0.77 -5.02 105.19 112.79 1pmj n GLY 171 Ca -0.12 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 1pmj n GLY 171 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pmj s PRO 172 N -2.00 4.30 -0.10 1.61 0.04 -1.26 -1.37 135.00 136.22 1pmj s PRO 172 Ca 0.00 1.30 0.03 0.00 0.04 0.00 0.00 61.00 62.38 1pmj s PRO 172 Cb 0.00 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1pmj s PRO 172 CO 0.00 0.02 -0.21 0.42 0.04 0.00 0.00 177.00 177.26 1pmj s ILE 173 N -1.85 1.90 -0.13 0.56 1.01 0.24 -4.39 121.20 118.54 1pmj s ILE 173 Ca 0.57 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 60.25 1pmj s ILE 173 Cb -0.16 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 1pmj s ILE 173 CO 0.21 0.52 0.10 -0.31 0.00 0.00 0.00 174.94 175.46 1pmj s TYR 174 N 0.53 3.44 -0.08 3.97 1.51 0.51 -0.58 117.35 126.65 1pmj s TYR 174 Ca -0.15 0.37 0.01 0.00 -1.01 0.00 0.00 57.07 56.29 1pmj s TYR 174 Cb -0.17 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1pmj s TYR 174 CO 0.05 0.54 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.76 1pmj s LEU 175 N -0.59 2.98 0.17 -1.29 2.96 -0.11 -0.64 118.68 122.17 1pmj s LEU 175 Ca 0.12 -0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 53.76 1pmj s LEU 175 Cb -0.12 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.94 1pmj s LEU 175 CO 0.02 0.31 0.42 -0.62 -1.32 0.00 0.00 176.35 175.16 1pmj s ASP 176 N -0.52 -0.14 -1.34 3.68 -1.08 -0.46 -1.15 116.67 115.66 1pmj s ASP 176 Ca 0.07 -0.61 -0.01 0.00 -0.52 0.00 0.00 52.55 51.48 1pmj s ASP 176 Cb -0.12 0.51 -0.00 0.00 -1.46 0.00 0.00 42.92 41.85 1pmj s ASP 176 CO 0.02 -0.97 0.57 0.59 0.52 0.00 0.00 175.17 175.89 1pmj n ASN 177 N -0.28 -1.01 -4.63 -0.34 3.02 -1.21 -1.55 115.26 109.25 1pmj n ASN 177 Ca -0.10 -0.92 -0.43 0.00 -0.03 0.00 0.00 54.58 53.10 1pmj n ASN 177 Cb 0.63 -3.54 -0.03 0.00 -0.61 0.00 0.00 39.78 36.23 1pmj n ASN 177 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pmj s VAL 178 N -3.80 4.61 -0.09 2.41 1.01 -0.56 -3.78 120.40 120.20 1pmj s VAL 178 Ca 0.03 1.57 0.03 0.00 0.00 0.00 0.00 61.98 63.61 1pmj s VAL 178 Cb -0.01 -4.33 0.01 0.00 0.00 0.00 0.00 36.38 32.05 1pmj s VAL 178 CO 0.85 -0.39 -0.17 -0.13 0.00 0.00 0.00 175.10 175.26 1pmj s ARG 179 N 3.40 2.29 -0.39 2.72 0.52 -0.07 0.15 118.95 127.58 1pmj s ARG 179 Ca 0.41 -0.61 -0.14 0.00 -0.52 0.00 0.00 55.73 54.86 1pmj s ARG 179 Cb -0.13 -1.82 0.01 0.00 0.52 0.00 0.00 34.95 33.53 1pmj s ARG 179 CO 0.14 0.07 0.28 0.42 0.02 0.00 0.00 175.30 176.23 1pmj s ILE 180 N 0.59 5.27 0.04 1.52 -1.09 0.08 -1.14 121.20 126.47 1pmj s ILE 180 Ca -0.15 -0.51 0.08 0.00 -2.23 0.00 0.00 60.65 57.84 1pmj s ILE 180 Cb -0.17 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 1pmj s ILE 180 CO 0.05 -0.21 -0.21 -0.13 -1.23 0.00 0.00 174.94 173.21 1pmj s ARG 181 N 1.70 1.98 0.35 2.79 0.52 -0.08 -1.44 118.95 124.77 1pmj s ARG 181 Ca 0.05 -1.03 0.27 0.00 -0.52 0.00 0.00 55.73 54.51 1pmj s ARG 181 Cb -0.18 -2.12 0.93 0.00 0.52 0.00 0.00 34.95 34.10 1pmj s ARG 181 CO 0.10 0.53 1.78 -1.00 0.02 0.00 0.00 175.30 176.73 1pmj h PRO 182 N 4.62 0.00 -7.03 3.54 0.13 -1.82 0.70 132.00 132.15 1pmj h PRO 182 Ca -0.47 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.17 1pmj h PRO 182 Cb 1.15 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.32 1pmj h PRO 182 CO 0.46 0.00 0.43 -1.21 -0.23 0.00 0.00 178.00 177.45 1pmj s GLU 183 N -3.33 3.82 0.74 0.86 8.01 -1.26 -4.31 118.70 123.23 1pmj s GLU 183 Ca 0.06 1.55 -0.13 0.00 0.01 0.00 0.00 54.97 56.45 1pmj s GLU 183 Cb 0.09 -2.29 0.04 0.00 -4.31 0.00 0.00 34.13 27.67 1pmj s GLU 183 CO 0.53 -0.45 1.14 -0.51 0.01 0.00 0.00 175.26 175.98 1pmj s ASP 184 N -1.67 4.39 0.00 -0.19 1.01 -1.26 -3.23 116.67 115.72 1pmj s ASP 184 Ca 0.65 2.10 0.00 0.00 0.71 0.00 0.00 52.55 56.01 1pmj s ASP 184 Cb -0.22 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.18 1pmj s ASP 184 CO 0.27 -2.12 0.53 0.00 0.21 0.00 0.00 175.17 174.06